1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C16H15FN2O2S — CID 653269

IUPAC1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H15FN2O2S/c17-12-3-5-13(6-4-12)19-10-11(8-15(19)20)16(21)18-9-14-2-1-7-22-14/h1-7,11H,8-10H2,(H,18,21)
InChIKeyHGQXZMXYWYAXKW-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 653269) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID653269
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H15FN2O2S/c17-12-3-5-13(6-4-12)19-10-11(8-15(19)20)16(21)18-9-14-2-1-7-22-14/h1-7,11H,8-10H2,(H,18,21)
InChIKeyHGQXZMXYWYAXKW-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 653269) is 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccs1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is HGQXZMXYWYAXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-12-3-5-13(6-4-12)19-10-11(8-15(19)20)16(21)18-9-14-2-1-7-22-14/h1-7,11H,8-10H2,(H,18,21).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 653269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).